Information card for entry 4304281

Structure parameters

• Formula: C28 H34 Cl2 Cu2 N4 O12
• Calculated formula: C28 H34 Cl2 Cu2 N4 O12
• SMILES: c1(cccc2[n]1[Cu]13([O](C2)[Cu]24([n]5c(cccc5C[O]32)C)[n]2c(cccc2C[OH]4)C)[n]2c(cccc2C[OH]1)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion
• Authors of publication: Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 209 - 218
• a: 10.0579 ± 0.0006 Å
• b: 11.7112 ± 0.0007 Å
• c: 13.7986 ± 0.0008 Å
• α: 90°
• β: 105.262 ± 0.001°
• γ: 90°
• Cell volume: 1568.02 ± 0.16 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No